2-[furan-2-carbonyl(methyl)amino]acetate

C8H8NO4- — CID 6943452

IUPAC2-[furan-2-carbonyl(methyl)amino]acetate
SMILESCN(CC(=O)[O-])C(=O)c1ccco1
InChIInChI=1S/C8H9NO4/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11)/p-1
InChIKeyXGUIRNHIRGCLJK-UHFFFAOYSA-M
MW182.16 g/mol
LogP-0.90
Rot. Bonds3

About 2-[furan-2-carbonyl(methyl)amino]acetate

2-[furan-2-carbonyl(methyl)amino]acetate (PubChem CID 6943452) has the molecular formula C8H8NO4- and a molecular weight of 182.16 g/mol. Its IUPAC name is 2-[furan-2-carbonyl(methyl)amino]acetate.

Molecular Properties

Compound Name2-[furan-2-carbonyl(methyl)amino]acetate
PubChem CID6943452
Molecular FormulaC8H8NO4-
Molecular Weight182.16 g/mol
Exact Mass182.05
IUPAC Name2-[furan-2-carbonyl(methyl)amino]acetate
SMILESCN(CC(=O)[O-])C(=O)c1ccco1
InChIInChI=1S/C8H9NO4/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11)/p-1
InChIKeyXGUIRNHIRGCLJK-UHFFFAOYSA-M
XLogP-0.90
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.16
LogP ≤ 5-0.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylprop-2-enyl)furan-2-carboxamide
CID 115968439
methyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 43407344
N-(2-amino-2-hydroxyiminoethyl)-N-methylfuran-2-carboxamide
CID 76928863
N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 15134402
N-[2-[2-hydroxypropyl(methyl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 55060862
tert-butyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 78991307
propyl 2-[furan-2-carbonyl(methyl)amino]acetate
CID 91700657
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-methyl-N-[2-[2-(2-methylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 43047860
N-[2-(ethoxyamino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 47149757
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 60715665
3-[[2-[furan-2-carbonyl(methyl)amino]acetyl]amino]propanoic acid
CID 43170664

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-carbonyl(methyl)amino]acetate?
The IUPAC name of 2-[furan-2-carbonyl(methyl)amino]acetate (CID 6943452) is 2-[furan-2-carbonyl(methyl)amino]acetate.
What is the SMILES notation for 2-[furan-2-carbonyl(methyl)amino]acetate?
The canonical SMILES for 2-[furan-2-carbonyl(methyl)amino]acetate is CN(CC(=O)[O-])C(=O)c1ccco1.
What is the InChIKey of 2-[furan-2-carbonyl(methyl)amino]acetate?
The InChIKey is XGUIRNHIRGCLJK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO4/c1-9(5-7(10)11)8(12)6-3-2-4-13-6/h2-4H,5H2,1H3,(H,10,11)/p-1.
What are the key properties of 2-[furan-2-carbonyl(methyl)amino]acetate?
2-[furan-2-carbonyl(methyl)amino]acetate has a molecular weight of 182.16 g/mol, XLogP of -0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-carbonyl(methyl)amino]acetate is sourced from PubChem (CID 6943452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).